![TACACOSIDE-B1;3-O-[BETA-D-GLUCOPYRANOSYL]-BAYOGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-](/api/spectrum/GU6vFkxcP9W/structure.png?h=300&w=458 "TACACOSIDE-B1;3-O-[BETA-D-GLUCOPYRANOSYL]-BAYOGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]-")
| SpectraBase Compound ID | ALV3XBjGA6 |
|---|---|
| InChI | InChI=1S/C63H102O30/c1-25-35(70)38(73)40(75)51(85-25)89-45-31(69)21-82-50(42(45)77)88-44-26(2)86-53(43(78)46(44)90-55-48(79)63(81,23-66)24-84-55)91-47-36(71)30(68)20-83-54(47)93-56(80)62-15-13-57(3,4)17-28(62)27-9-10-34-58(5)18-29(67)49(92-52-41(76)39(74)37(72)32(19-64)87-52)59(6,22-65)33(58)11-12-61(34,8)60(27,7)14-16-62/h9,25-26,28-55,64-79,81H,10-24H2,1-8H3/t25-,26-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37+,38+,39-,40+,41+,42+,43+,44-,45-,46-,47+,48-,49-,50-,51-,52-,53-,54-,55-,58?,59-,60?,61?,62-,63+/m0/s1 |
| InChIKey | IRYCPRPAUYTFMP-MBTWNHBZSA-N |
| Mol Weight | 1339.5 g/mol |
| Molecular Formula | C63H102O30 |
| Exact Mass | 1338.645592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GU6vFkxcP9W |
|---|---|
| Name | TACACOSIDE-B1;3-O-[BETA-D-GLUCOPYRANOSYL]-BAYOGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1->3)]- |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H102O30 |
| InChI | InChI=1S/C63H102O30/c1-25-35(70)38(73)40(75)51(85-25)89-45-31(69)21-82-50(42(45)77)88-44-26(2)86-53(43(78)46(44)90-55-48(79)63(81,23-66)24-84-55)91-47-36(71)30(68)20-83-54(47)93-56(80)62-15-13-57(3,4)17-28(62)27-9-10-34-58(5)18-29(67)49(92-52-41(76)39(74)37(72)32(19-64)87-52)59(6,22-65)33(58)11-12-61(34,8)60(27,7)14-16-62/h9,25-26,28-55,64-79,81H,10-24H2,1-8H3/t25-,26-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37+,38+,39-,40+,41+,42+,43+,44-,45-,46-,47+,48-,49-,50-,51-,52-,53-,54-,55-,58?,59-,60?,61?,62-,63+/m0/s1 |
| InChIKey | IRYCPRPAUYTFMP-MBTWNHBZSA-N |
| Literature Reference Author | V.H.CASTRO,E.RAMIREZ,G.A.MORA,Y.IWASE,T.NAGAO,H.OKABE,H.MATS UNAGA,M.KATANO,M.MOR |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,349(1997) |
| Literature Reference DOI | 10.1248/cpb.45.349 |
| Molecular Weight | 1339.485 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN28745 |